CID 176514735

U-8:2 ftsa

Structural Information

Molecular Formula

C₁₀H₃F₁₇O₃S

SMILES

C(=C/S(=O)(=O)O)\C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C10H3F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H,(H,28,29,30)/b2-1+

InChIKey

ZTGCGIRHCKMKNV-OWOJBTEDSA-N

Compound name

(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 525.9531 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	526.960376	168.7
[M+Na]+	548.942318	172.1
[M-H]-	524.945824	175.6
[M+NH4]+	543.986923	177.7
[M+K]+	564.916258	180.9
[M+H-H2O]+	508.950360	156.4
[M+HCOO]-	570.951301	189.2
[M+CH3COO]-	584.966951	234.0
[M+Na-2H]-	546.927766	167.2
[M]+	525.95255142	169.7
[M]-	525.95364858	169.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.